Receptor
PDB id Resolution Class Description Source Keywords
3L9R 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BOVINE CD1B3 WITH ENDOGENOUSLY BOUND LI BOS TAURUS ANTIGEN PRESENTATION CATTLE CD1 IMMUNE RESPONSE IMMUNOGLDOMAIN MHC I
Ref.: CRYSTAL STRUCTURE OF BOVINE CD1B3 WITH ENDOGENOUSLY LIGANDS. J.IMMUNOL. V. 185 376 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL C:287;
G:288;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
GOL A:285;
C:285;
C:286;
C:288;
E:284;
G:284;
G:285;
G:286;
G:287;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
L9Q C:284;
G:289;
Valid;
Valid;
none;
none;
submit data
746.05 C41 H80 N O8 P CCCCC...
L9R A:284;
E:285;
Valid;
Valid;
none;
none;
submit data
788.129 C44 H86 N O8 P CCCCC...
NAG A:500;
C:500;
E:500;
E:508;
G:500;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG FUC NAG FUC BMA C:501;
E:501;
G:501;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data n/a n/a n/a n/a
NAG FUC NAG FUC BMA MAN A:501;
Part of Protein;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3L9R 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF BOVINE CD1B3 WITH ENDOGENOUSLY BOUND LI BOS TAURUS ANTIGEN PRESENTATION CATTLE CD1 IMMUNE RESPONSE IMMUNOGLDOMAIN MHC I
Ref.: CRYSTAL STRUCTURE OF BOVINE CD1B3 WITH ENDOGENOUSLY LIGANDS. J.IMMUNOL. V. 185 376 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3L9R - L9Q C41 H80 N O8 P CCCCCCCCCC....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 1GZQ - PII C42 H81 O13 P CCCCCCCCCC....
2 5L2J - 70E C42 H82 O8 CCCCCCCCCC....
3 2H26 - 6UL C40 H80 O2 CCCCCCCCCC....
4 3L9R - L9Q C41 H80 N O8 P CCCCCCCCCC....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 43 families.
1 1GZQ - PII C42 H81 O13 P CCCCCCCCCC....
2 5L2J - 70E C42 H82 O8 CCCCCCCCCC....
3 2H26 - 6UL C40 H80 O2 CCCCCCCCCC....
4 3GMM - PLM C16 H32 O2 CCCCCCCCCC....
5 3G08 Kd = 6.843 nM FEE C39 H77 N O9 CCCCCCCCCC....
6 3MA7 - CD4 C65 H126 O17 P2 CCCCCCCCCC....
7 1Z5L - PBS C32 H63 N O9 CCCCCCCCCC....
8 5TW5 - PLM C16 H32 O2 CCCCCCCCCC....
9 3ILQ Kd = 6.2 uM 1O2 C43 H80 O10 CCCCCCCCCC....
10 3GMR - PLM C16 H32 O2 CCCCCCCCCC....
11 3T1F - 3TF C43 H80 O10 CCCCCCCCCC....
12 3GMQ - PLM C16 H32 O2 CCCCCCCCCC....
13 2AKR - CIS C48 H91 N O11 S CCCCCCCCCC....
14 3GMP - PBS C32 H63 N O9 CCCCCCCCCC....
15 3AU1 - ERA BGC GAL n/a n/a
16 3GMN - PLM C16 H32 O2 CCCCCCCCCC....
17 5TW2 - 7LP C34 H58 N2 O10 CCCCCCCC(=....
18 3GML - PLM C16 H32 O2 CCCCCCCCCC....
19 2Q7Y - IGC C44 H81 N O18 CCCCCCCCCC....
20 3ILP - 1L2 C45 H80 O10 CCCCCCCC/C....
21 3GMO - PLM C16 H32 O2 CCCCCCCCCC....
22 2FIK - PLM C16 H32 O2 CCCCCCCCCC....
23 1ONQ - SLF C42 H81 N O11 S CCCCCCCCCC....
24 4X6E - 42H C26 H53 N O7 P CCCCCCCC/C....
25 4X6F - 3XU C47 H94 N2 O6 P CCCCCCCCCC....
26 4F7E - 0SH C40 H79 N O9 CCCCCCCCCC....
27 5C9J - STE C18 H36 O2 CCCCCCCCCC....
28 3L9R - L9Q C41 H80 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: L9Q; Similar ligands found: 83
No: Ligand ECFP6 Tc MDL keys Tc
1 L9Q 1 1
2 LOP 1 1
3 ZPE 0.942857 1
4 GP7 0.868421 1
5 PEV 0.865672 0.980769
6 PEH 0.865672 0.980769
7 PTY 0.865672 0.980769
8 8PE 0.865672 0.980769
9 PEF 0.865672 0.980769
10 9PE 0.852941 0.980769
11 PCW 0.826667 0.79661
12 PEK 0.818182 1
13 PGW 0.776316 0.830189
14 DR9 0.766234 0.830189
15 PGV 0.766234 0.830189
16 P6L 0.75641 0.830189
17 EPH 0.752941 1
18 OZ2 0.746835 0.830189
19 PSC 0.73494 0.79661
20 PC7 0.706667 0.779661
21 PLD 0.706667 0.779661
22 LIO 0.706667 0.779661
23 6PL 0.706667 0.779661
24 HGP 0.706667 0.779661
25 HGX 0.706667 0.779661
26 PEE 0.702703 0.962264
27 B7N 0.695122 0.711864
28 CD4 0.675676 0.807692
29 P5S 0.662338 0.888889
30 XP5 0.657895 0.779661
31 PGT 0.657895 0.811321
32 LHG 0.657895 0.811321
33 PIE 0.647059 0.666667
34 L9R 0.642857 0.728814
35 P3A 0.627907 0.796296
36 7PH 0.625 0.773585
37 6PH 0.625 0.773585
38 LPP 0.625 0.773585
39 3PH 0.625 0.773585
40 7P9 0.616438 0.773585
41 PX2 0.616438 0.754717
42 PCK 0.616279 0.741935
43 CN3 0.609756 0.807692
44 T7X 0.586957 0.711864
45 PII 0.585366 0.694915
46 CN6 0.585366 0.807692
47 42H 0.583333 0.830508
48 PD7 0.575342 0.773585
49 PGK 0.574713 0.767857
50 PSF 0.56962 0.888889
51 3PE 0.567901 0.867925
52 44G 0.564103 0.811321
53 PIZ 0.563218 0.694915
54 CDL 0.5625 0.735849
55 8ND 0.56 0.716981
56 M7U 0.555556 0.773585
57 DGG 0.555556 0.767857
58 DLP 0.554348 0.728814
59 PIF 0.552941 0.683333
60 S12 0.552941 0.888889
61 IP9 0.551724 0.694915
62 NKP 0.551282 0.792453
63 PCF 0.535714 0.711864
64 MC3 0.535714 0.711864
65 PC1 0.535714 0.711864
66 52N 0.534091 0.683333
67 PIO 0.534091 0.683333
68 44E 0.527027 0.773585
69 PDK 0.525253 0.819672
70 AGA 0.505882 0.777778
71 OLB 0.5 0.603774
72 OLC 0.5 0.603774
73 MVC 0.480519 0.603774
74 LAP 0.47619 0.813559
75 LPC 0.47619 0.813559
76 LP3 0.47619 0.813559
77 78M 0.467532 0.603774
78 78N 0.467532 0.603774
79 OPC 0.458333 0.783333
80 NKN 0.435897 0.773585
81 3XU 0.428571 0.738462
82 CN5 0.420455 0.826923
83 SPU 0.4 0.758065
Ligand no: 2; Ligand: L9R; Similar ligands found: 77
No: Ligand ECFP6 Tc MDL keys Tc
1 L9R 1 1
2 PC1 0.873239 0.98
3 PCF 0.873239 0.98
4 MC3 0.873239 0.98
5 DLP 0.860759 1
6 PCW 0.7625 0.925926
7 3PE 0.701299 0.796296
8 P3A 0.694118 0.696429
9 PSC 0.681818 0.925926
10 PIE 0.655172 0.661017
11 LIO 0.65 0.907407
12 HGP 0.65 0.907407
13 PC7 0.65 0.907407
14 HGX 0.65 0.907407
15 PLD 0.65 0.907407
16 6PL 0.65 0.907407
17 L9Q 0.642857 0.728814
18 LOP 0.642857 0.728814
19 CDL 0.632911 0.730769
20 ZPE 0.609195 0.728814
21 XP5 0.604938 0.907407
22 PGW 0.597701 0.666667
23 DR9 0.590909 0.666667
24 PGV 0.590909 0.666667
25 GP7 0.586957 0.728814
26 PX2 0.584416 0.716981
27 P6L 0.58427 0.666667
28 OZ2 0.577778 0.666667
29 42H 0.574713 0.892857
30 B7N 0.571429 0.622951
31 PCK 0.571429 0.859649
32 AGA 0.571429 0.678571
33 6PH 0.551282 0.672727
34 LPP 0.551282 0.672727
35 7PH 0.551282 0.672727
36 3PH 0.551282 0.672727
37 7P9 0.544304 0.672727
38 PEF 0.535714 0.711864
39 PEH 0.535714 0.711864
40 PEV 0.535714 0.711864
41 8PE 0.535714 0.711864
42 PTY 0.535714 0.711864
43 PEK 0.531915 0.728814
44 EPH 0.53 0.728814
45 9PE 0.529412 0.711864
46 PEE 0.511628 0.728814
47 PD7 0.506329 0.672727
48 CD4 0.505882 0.672727
49 3PC 0.505747 0.96
50 PFS 0.494253 0.98
51 M7U 0.494253 0.672727
52 PGT 0.494253 0.649123
53 LHG 0.494253 0.649123
54 8ND 0.493827 0.618182
55 PIZ 0.489362 0.606557
56 P5S 0.483146 0.694915
57 IP9 0.478723 0.606557
58 PC5 0.476744 0.87037
59 PII 0.472527 0.606557
60 LP3 0.471264 0.875
61 LAP 0.471264 0.875
62 LPC 0.471264 0.875
63 T7X 0.470588 0.622951
64 NKP 0.470588 0.660714
65 OPC 0.469388 0.909091
66 44E 0.4625 0.672727
67 CN3 0.462366 0.672727
68 P42 0.44086 0.854545
69 CN6 0.44086 0.672727
70 PGK 0.438776 0.616667
71 3XU 0.425743 0.761905
72 DGG 0.425743 0.616667
73 S12 0.416667 0.694915
74 44G 0.41573 0.649123
75 DPV 0.415584 0.86
76 PGM 0.413793 0.660714
77 PSF 0.406593 0.694915
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3L9R; Ligand: L9Q; Similar sites found: 111
This union binding pocket(no: 1) in the query (biounit: 3l9r.bio4) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1LNX URI 0.03154 0.41638 None
2 3NZ1 3NY 0.02331 0.41897 1.91571
3 1VPD TLA 0.02814 0.41416 2.12014
4 4UMJ BFQ 0.0262 0.42212 2.7027
5 2O1O RIS 0.02512 0.41965 3.06122
6 5EE7 5MV 0.02586 0.41761 3.06122
7 2GN2 C5P 0.006643 0.45817 3.18021
8 3IA4 MTX 0.006393 0.43229 3.7037
9 1W6O LAT 0.02031 0.41623 3.73134
10 1W6P NDG GAL 0.01339 0.4091 3.73134
11 1I0B PEL 0.0086 0.44827 3.88693
12 3B9Q MLI 0.007223 0.45475 4.08163
13 5DXG EST 0.01136 0.42389 4.08163
14 4MGA 27L 0.032 0.42343 4.08163
15 3HR1 PF9 0.01078 0.40477 4.08163
16 5CHR 4NC 0.01509 0.43182 4.37956
17 5K53 STE 0.006424 0.41786 4.58015
18 4KBA 1QM 0.01227 0.43047 4.59364
19 1IIU RTL 0.007196 0.41252 4.5977
20 4LWU 20U 0.02501 0.40326 4.70588
21 4ZU4 4TG 0.008088 0.42354 4.72973
22 4WVW SLT 0.00902 0.43815 4.86111
23 1NF8 BOG 0.006051 0.45954 5.10204
24 1QY1 PRZ 0.0006973 0.45711 5.10204
25 3B00 16A 0.006238 0.4369 5.10204
26 1ULE GLA GAL NAG 0.04294 0.40358 5.10204
27 3RY9 1CA 0.02132 0.40022 5.2
28 3KP6 SAL 0.0006482 0.50768 5.29801
29 5NCF 8T5 0.04512 0.40434 5.30973
30 1M2Z BOG 0.01122 0.44056 5.83658
31 1UO5 PIH 0.01114 0.45667 5.88235
32 4BQY FNT 0.01593 0.4001 5.95238
33 3TDC 0EU 0.000642 0.44977 6.12245
34 5SXS NIZ 0.02389 0.41953 6.12245
35 4UA3 COA 0.01351 0.40334 6.12245
36 2WQN ADP 0.02999 0.4027 6.12245
37 3NKS ACJ 0.02216 0.40255 6.12245
38 4XPL ACO 0.018 0.40368 6.13497
39 1OFL NGK GCD 0.001822 0.47763 6.36042
40 4YEE 4CQ 0.04303 0.40569 6.66667
41 4I67 G G G RPC 0.001544 0.4722 6.89655
42 3SHZ 5CO 0.01582 0.42054 7.06714
43 1TV5 N8E 0.0003062 0.52095 7.14286
44 3ZJX BOG 0.007403 0.44999 7.14286
45 5UNJ RJW 0.002268 0.44991 7.14286
46 3HYW DCQ 0.02884 0.4178 7.14286
47 1YUC EPH 0.002483 0.41725 7.14286
48 2GMH UQ5 0.005826 0.41349 7.14286
49 4XWM CBI 0.04501 0.40488 7.14286
50 5XLY C2E 0.01747 0.40429 7.14286
51 4OAS 2SW 0.009011 0.425 7.29167
52 2YMZ LAT 0.01464 0.42092 7.69231
53 2Z7I 742 0.001903 0.43346 7.77385
54 4ZTD ALA GLY ALA GLY ALA 0.03461 0.41588 7.90514
55 2ZHL NAG GAL GAL NAG 0.006467 0.43612 8.16327
56 4YV5 SVR 0.01667 0.41367 8.16327
57 5TVF CGQ 0.01821 0.41361 8.16327
58 1DKF BMS 0.006032 0.41283 8.16327
59 1GZW GAL BGC 0.02099 0.41101 8.16327
60 1OI6 TMP 0.03628 0.4064 8.16327
61 5K52 OCD 0.01148 0.40357 8.16327
62 5FUI APY 0.0006289 0.52801 8.33333
63 4NAE 1GP 0.02554 0.42098 8.44444
64 2XCM ADP 0.02774 0.40104 8.69565
65 3L1N PLM 0.002918 0.4685 8.76289
66 4Y24 TD2 0.03667 0.40171 9.09091
67 5UGW GSH 0.001089 0.5035 9.14286
68 5KJW 53C 0.00119 0.49364 9.18367
69 1KDK DHT 0.004851 0.41692 9.18367
70 4R38 RBF 0.007857 0.41393 9.28571
71 1SDW IYT 0.0115 0.42362 10.2041
72 4CJN MUR 0.01026 0.42224 10.2041
73 1XVB 3BR 0.03223 0.40461 10.2041
74 1DTL BEP 0.03081 0.4021 11.1801
75 4EIL FOL 0.01075 0.42126 11.2245
76 2Q2Y ADP 0.01058 0.40764 11.2245
77 2Q2Y MKR 0.01058 0.40764 11.2245
78 5H2U 1N1 0.0205 0.40751 11.2245
79 5LX9 OLB 0.02102 0.40697 11.2245
80 4H2W AMP 0.01835 0.40649 11.2245
81 1UYY BGC BGC 0.004564 0.45809 11.4504
82 4F4S EFO 0.04242 0.40581 11.8421
83 1DZK PRZ 0.0165 0.41214 12.1019
84 2CJU PHX 0.02998 0.41974 12.2449
85 5W0N UPU 0.02821 0.41546 12.2449
86 5B25 4QJ 0.02158 0.40641 12.2449
87 5ICK FEZ 0.01459 0.40483 12.2449
88 3I6B KDO 0.009501 0.44099 13.2653
89 1JL0 PUT 0.02391 0.41293 13.2653
90 2Z77 HE7 0.008319 0.41281 13.6691
91 4H6B 10X 0.01674 0.41545 13.8462
92 4AQ4 G3P 0.01405 0.43184 14.2857
93 1GXU 2HP 0.01595 0.42922 14.2857
94 5T7I LAT NAG GAL 0.02618 0.41895 14.2857
95 3KDU NKS 0.002348 0.41659 14.2857
96 5KR7 6X9 0.01918 0.41248 14.2857
97 1TUK PGM 0.005073 0.44583 14.9254
98 1J78 OLA 0.002567 0.48394 15.3061
99 2PHR MAN MAN BMA MAN 0.03854 0.40421 15.3061
100 2PHF MAN MAN BMA MAN 0.04389 0.4012 15.3061
101 3AJH BL3 0.007726 0.41751 17.3469
102 5LWY OLB 0.02147 0.40652 17.6471
103 4ZGM 32M 0.02594 0.41999 18.0328
104 4QPW XYP XYP XYP 0.006066 0.44177 19.3878
105 4C5N ACP 0.005261 0.40955 19.3878
106 1I7M PUT 0.01356 0.43501 20.8955
107 1I7M CG 0.01684 0.42323 20.8955
108 4IBF 1D5 0.02746 0.40125 23.2558
109 5AZC PGT 0.01526 0.40272 24.4898
110 2YKL NLD 0.001016 0.47618 28.5714
111 4L4J NAG NAG BMA MAN NAG 0.02379 0.41604 41.8367
Pocket No.: 2; Query (leader) PDB : 3L9R; Ligand: L9R; Similar sites found: 113
This union binding pocket(no: 2) in the query (biounit: 3l9r.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.01795 0.42568 None
2 3NZ1 3NY 0.02899 0.41139 1.91571
3 5EE7 5MV 0.04049 0.40757 3.06122
4 2FDW D3G 0.03488 0.40652 3.06122
5 4URN NOV 0.03438 0.41079 3.55556
6 1W6O LAT 0.02995 0.40466 3.73134
7 1I0B PEL 0.00973 0.44956 3.88693
8 3B9Q MLI 0.006774 0.45543 4.08163
9 3HR1 PF9 0.001404 0.44375 4.08163
10 4MGA 27L 0.03892 0.41842 4.08163
11 5DXG EST 0.0225 0.40899 4.08163
12 5DX3 EST 0.02354 0.408 4.08163
13 4TV1 36M 0.04298 0.4055 4.08163
14 5C2H 4XU 0.00235 0.40509 4.08163
15 4TUZ 36J 0.02158 0.4031 4.08163
16 5CHR 4NC 0.003546 0.46647 4.37956
17 5K53 STE 0.004286 0.42575 4.58015
18 4LWU 20U 0.01182 0.41923 4.70588
19 1NF8 BOG 0.002 0.48218 5.10204
20 1QY1 PRZ 0.00228 0.43449 5.10204
21 3PUR 2HG 0.0207 0.42539 5.10204
22 4URG C2E 0.03762 0.41381 5.10204
23 1RL4 BL5 0.03592 0.40643 5.10204
24 4O1Z MXM 0.01028 0.40569 5.10204
25 1RL4 BRR 0.04581 0.40398 5.10204
26 3RY9 1CA 0.01746 0.4043 5.2
27 3KP6 SAL 0.0004724 0.51752 5.29801
28 3W54 RNB 0.01731 0.41112 5.30035
29 2WPB ZZI 0.04167 0.40623 5.30035
30 5NCF 8T5 0.04677 0.40349 5.30973
31 1UO5 PIH 0.01241 0.44545 5.88235
32 4P6W MOF 0.009853 0.40361 5.95238
33 3TDC 0EU 0.0008026 0.51329 6.12245
34 2GPT TLA 0.02819 0.41698 6.12245
35 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.03631 0.41485 6.12245
36 1TMX HGX 0.007883 0.41077 6.12245
37 5SXS NIZ 0.03172 0.41055 6.12245
38 4EMV 0R9 0.01523 0.40396 6.12245
39 4XPL ACO 0.009104 0.41758 6.13497
40 1OFL NGK GCD 0.02302 0.41639 6.36042
41 1ELW GLY PRO THR ILE GLU GLU VAL ASP 0.02504 0.40665 6.77966
42 4E2J MOF 0.01213 0.40251 6.8
43 4I67 G G G RPC 0.003133 0.45651 6.89655
44 1SN0 T44 0.01148 0.42366 6.92308
45 1TV5 N8E 0.00352 0.46414 7.14286
46 5UNJ RJW 0.006777 0.42721 7.14286
47 1JLX GAL A2G MBN 0.02415 0.42015 7.14286
48 1XMY ROL 0.0215 0.41765 7.14286
49 1O6U PLM 0.01283 0.4175 7.14286
50 4RLT FSE 0.01806 0.41379 7.14286
51 5B4B LP5 0.0005512 0.41308 7.14286
52 3OKI OKI 0.01221 0.40531 7.14286
53 3ZJX BOG 0.04309 0.40517 7.14286
54 1LN1 DLP 0.001774 0.40452 7.14286
55 4HBM 0Y7 0.02093 0.40375 7.14286
56 5G5W R8C 0.006087 0.40159 7.14286
57 2GMH UQ5 0.011 0.40154 7.14286
58 4OAS 2SW 0.01149 0.41983 7.29167
59 2ZHL NAG GAL GAL NAG 0.01104 0.42451 8.16327
60 5K52 OCD 0.004427 0.42181 8.16327
61 5JSP DQY 0.0316 0.41504 8.16327
62 3WV6 GAL GLC 0.02297 0.40657 8.16327
63 1GZW GAL BGC 0.02858 0.40577 8.16327
64 5TVM PUT 0.04969 0.40369 8.16327
65 5FUI APY 0.001871 0.48553 8.33333
66 2QCX PF1 0.00809 0.44719 8.36502
67 3L1N PLM 0.02555 0.4178 8.76289
68 5UGW GSH 0.005335 0.42973 9.14286
69 5KJW 53C 0.009813 0.44132 9.18367
70 2OG2 MLI 0.03562 0.42401 9.18367
71 3SHR CMP 0.02094 0.41429 9.18367
72 4I90 CHT 0.04266 0.41049 9.18367
73 1H8S AIC 0.03627 0.40562 9.52381
74 4CJN MUR 0.01926 0.40884 10.2041
75 1XVB 3BR 0.02806 0.40772 10.2041
76 1SDW IYT 0.0253 0.40643 10.2041
77 4ITH RCM 0.01123 0.40399 10.2041
78 3PNA CMP 0.007594 0.44139 11.2245
79 1UYY BGC BGC 0.03975 0.40736 11.4504
80 4F9U PBD 0.01262 0.42982 11.6608
81 4F4S EFO 0.04251 0.40576 11.8421
82 5UC9 MYR 0.03871 0.40411 11.9469
83 4YSX E23 0.02169 0.42166 12.2449
84 5B25 4QJ 0.006858 0.40753 12.2449
85 3KU0 ADE 0.04803 0.40554 12.2449
86 5ICK FEZ 0.01529 0.40388 12.2449
87 1JL0 PUT 0.0153 0.43203 13.2653
88 4HY1 19X 0.02315 0.41594 13.2653
89 2QES ADE 0.03725 0.41343 13.2653
90 3I6B KDO 0.04304 0.40546 13.2653
91 3TTY GLA 0.02531 0.41389 13.4276
92 2Z77 HE7 0.009486 0.40155 13.6691
93 5MBC FMN 0.004939 0.43378 14.2857
94 4AQ4 G3P 0.0151 0.43015 14.2857
95 1J78 OLA 0.03249 0.41297 15.3061
96 4J26 EST 0.02821 0.40404 15.3061
97 3RGA LSB 0.002756 0.44586 16.3265
98 4DK7 0KS 0.01242 0.40805 16.3265
99 2IYG FMN 0.01919 0.41247 17.3469
100 4Q86 AMP 0.01767 0.41068 17.3469
101 4UCF GLA 0.03007 0.40617 17.3469
102 4ZGM 32M 0.017 0.43773 18.0328
103 4WOE ADP 0.007313 0.45073 19.3878
104 2Y69 CHD 0.01715 0.42411 19.3878
105 4QC6 30N 0.005598 0.41423 20.1117
106 3G5K BB2 0.02652 0.402 20.4082
107 1I7M PUT 0.01322 0.43228 20.8955
108 1I7M CG 0.01421 0.42711 20.8955
109 1FK5 OLA 0.01104 0.40147 22.5806
110 5OCA 9QZ 0.00003636 0.56704 28.5714
111 2YKL NLD 0.003023 0.45259 28.5714
112 5JOG 6LT 0.008716 0.43381 28.5714
113 3WBG 2AN 0.02567 0.40269 36.7347
Pocket No.: 3; Query (leader) PDB : 3L9R; Ligand: L9R; Similar sites found: 82
This union binding pocket(no: 3) in the query (biounit: 3l9r.bio3) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1VCE SAH 0.01247 0.41123 None
2 4DXD 9PC 0.01363 0.4064 2.4735
3 4NFN 2KC 0.02841 0.40044 2.4735
4 4UMJ BFQ 0.03765 0.41307 2.7027
5 2WET TRP 0.03767 0.40413 3.06122
6 1W6P NDG GAL 0.0354 0.4093 3.73134
7 4JLS 3ZE 0.03884 0.41203 3.94737
8 5DXE EST 0.02538 0.40605 4.08163
9 4MG8 27J 0.02929 0.40296 4.08163
10 5DG2 GAL GLC 0.003796 0.44248 4.44444
11 4XBT FLC 0.02955 0.40276 4.51613
12 4KBA 1QM 0.03129 0.41209 4.59364
13 5GUE GGS 0.01619 0.40017 4.59364
14 1IIU RTL 0.009486 0.41055 4.5977
15 4ZSI GLP 0.01573 0.41292 4.67836
16 4ZU4 4TG 0.01098 0.42049 4.72973
17 1ULE GLA GAL NAG 0.04405 0.40204 5.10204
18 1OPB RET 0.01687 0.40512 5.22388
19 2EB5 OXL 0.03432 0.41673 5.61798
20 4YVN EBS 0.009857 0.44605 6.12245
21 1RYD GLC 0.02826 0.42059 6.12245
22 3KJM 245 0.01902 0.41584 6.12245
23 4P8O 883 0.03264 0.41111 6.12245
24 1LFO OLA 0.01425 0.40854 6.12245
25 4X8D AVI 0.04786 0.40214 6.12245
26 3NNT DQA 0.03216 0.40773 6.88406
27 3SHZ 5CO 0.02426 0.41412 7.06714
28 5XLY C2E 0.0004316 0.48339 7.14286
29 4RW3 TDA 0.03679 0.42495 7.14286
30 3HYW DCQ 0.02598 0.42213 7.14286
31 1YUC EPH 0.00274 0.41912 7.14286
32 5OO5 UUA 0.0128 0.41727 7.14286
33 3ZGJ RMN 0.03437 0.41385 7.14286
34 2VFT SOR 0.02652 0.4121 7.14286
35 4FFG 0U8 0.04375 0.40785 7.14286
36 1AJ0 PH2 0.02815 0.40063 7.14286
37 5L2R MLA 0.03147 0.41622 7.42049
38 2YMZ LAT 0.003182 0.45247 7.69231
39 2Y7P SAL 0.02029 0.42638 8.16327
40 5TVF CGQ 0.01996 0.41478 8.16327
41 4O9S 2RY 0.004368 0.41359 8.16327
42 1UNB AKG 0.004428 0.40802 8.16327
43 3IX8 TX3 0.006327 0.40693 8.16327
44 5A86 D7E 0.04024 0.40623 8.16327
45 4NAE 1GP 0.0387 0.41388 8.44444
46 4Y24 TD2 0.01398 0.42655 9.09091
47 4YJK URA 0.04719 0.40374 9.18367
48 2ZMF CMP 0.02159 0.40013 9.18367
49 4R38 RBF 0.009105 0.41439 9.28571
50 4D4U FUC NDG GAL FUC 0.04045 0.40974 10.2041
51 2J1E NDG GAL 0.04413 0.4052 10.2041
52 4QCK ASD 0.02789 0.40402 10.2041
53 5T8U LPA 0.03481 0.40247 10.2041
54 2CXG GLC GLC 0.04594 0.402 10.2041
55 5E89 TD2 0.009988 0.42247 11.2245
56 2Q2Y ADP 0.00519 0.41406 11.2245
57 2Q2Y MKR 0.00519 0.41406 11.2245
58 4H2W AMP 0.0164 0.41204 11.2245
59 5H2U 1N1 0.02208 0.40907 11.2245
60 4H2W 5GP 0.02047 0.40421 11.2245
61 4EIL FOL 0.02546 0.40276 11.2245
62 1GPM AMP 0.0425 0.40855 11.3074
63 2XG5 EC2 0.02926 0.41171 11.5607
64 2XG5 EC5 0.02926 0.41171 11.5607
65 1DZK PRZ 0.02448 0.40359 12.1019
66 5W0N UPU 0.03759 0.41171 12.2449
67 2CJU PHX 0.04912 0.40641 12.2449
68 1DZT TPE 0.0445 0.40374 13.2653
69 5T7I LAT NAG GAL 0.01083 0.44283 14.2857
70 5KR7 6X9 0.02512 0.4097 14.2857
71 1U0A BGC BGC BGC BGC 0.01196 0.41868 16.3265
72 5M6N 7H9 0.04562 0.40903 16.9492
73 2QHV OC9 0.02596 0.41643 17.3469
74 3AJH BL3 0.009712 0.41627 17.3469
75 4JH6 FCN 0.02974 0.41327 17.3469
76 2Z5Y HRM 0.005921 0.45048 18.3673
77 3QSB 743 0.01988 0.41862 20.4082
78 3JRX S1A 0.02095 0.40373 21.4286
79 2QHS OCA 0.02887 0.41018 24.4898
80 5A7Y SAH 0.0493 0.40148 27.551
81 1UPR 4IP 0.04233 0.40275 31.7073
82 5X2N ALA 0.04294 0.40512 36.7347
Pocket No.: 4; Query (leader) PDB : 3L9R; Ligand: L9Q; Similar sites found: 41
This union binding pocket(no: 4) in the query (biounit: 3l9r.bio2) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4JLS 3ZE 0.04391 0.40607 3.94737
2 5DX3 EST 0.01999 0.41157 4.08163
3 2F6U CIT 0.03499 0.41038 4.08163
4 4TV1 36M 0.04803 0.40286 4.08163
5 4IEN GDP 0.02307 0.40171 4.29448
6 4ZSI 4R1 0.009195 0.42088 4.67836
7 2IU8 PLM 0.01112 0.40417 5.10204
8 4MC3 28U 0.04842 0.40267 5.10204
9 4BWL MN9 0.01595 0.42898 5.30035
10 2G2Y MLI 0.02744 0.41707 5.30035
11 2P41 G1G 0.03777 0.40857 5.65371
12 4MTI 2DX 0.04998 0.40191 6.08696
13 4YVN EBS 0.03793 0.41095 6.12245
14 3ZGJ RMN 0.0274 0.41615 7.14286
15 4FFG 0U8 0.03599 0.41113 7.14286
16 5L2R MLA 0.04228 0.40415 7.42049
17 1K0E TRP 0.02488 0.40679 8.12721
18 5JSP DQY 0.01648 0.43291 8.16327
19 4O9S 2RY 0.002966 0.41698 8.16327
20 2Y7P SAL 0.02988 0.41411 8.16327
21 1KPG 16A 0.02428 0.40064 8.16327
22 2AGC DAO 0.04418 0.40105 9.18367
23 4B1X LAB 0.04509 0.40058 9.18367
24 5T8U LPA 0.02887 0.40353 10.2041
25 1GPM AMP 0.03942 0.40687 11.3074
26 1ZOY UQ1 0.03515 0.41437 13.0952
27 1POC GEL 0.01888 0.4027 14.2857
28 2GN3 MMA 0.0258 0.41576 15.3061
29 2GN3 MAN 0.03654 0.40939 15.3061
30 4J26 EST 0.0236 0.40795 15.3061
31 2PHT MAN MAN MAN BMA MAN 0.0367 0.40169 15.3061
32 3RGA LSB 0.002018 0.45232 16.3265
33 4DK7 0KS 0.01674 0.40208 16.3265
34 5M6N 7H9 0.02453 0.42144 16.9492
35 2QHV OC9 0.03066 0.40949 17.3469
36 2Z5Y HRM 0.008773 0.4381 18.3673
37 4WOE ADP 0.003674 0.46719 19.3878
38 2Y69 CHD 0.01545 0.4194 19.3878
39 3QSB 743 0.02679 0.40877 20.4082
40 2QHS OCA 0.02952 0.40659 24.4898
41 5OCA 9QZ 0.009981 0.44032 28.5714
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